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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(C)C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C |
|---|---|
| IUPAC Name | 5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione |
| InChIKey | OPZJJCAJHFRRSI-UHFFFAOYSA-N |
| INCHI | 1S/C13H16N2O2/c1-8(2)9-4-6-10(7-5-9)13(3)11(16)14-12(17)15-13/h4-8H,1-3H3,(H2,14,15,16,17) |
| Molecular Weight | 232.28 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azolidines |
| Subclass | Imidazolidines |
| Intermediate Tree Nodes | Imidazolidinones - Imidazolidinediones - Hydantoins |
| Direct Parent | Phenylhydantoins |
| Alternative Parents | Phenylimidazolidines Monocyclic monoterpenoids Aromatic monoterpenoids Alpha amino acids and derivatives Phenylpropanes Cumenes 5-monosubstituted hydantoins N-acyl ureas Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 5-phenylhydantoin - Phenylimidazolidine - Monoterpenoid - Monocyclic monoterpenoid - Aromatic monoterpenoid - P-cymene - Alpha-amino acid or derivatives - Phenylpropane - Cumene - 5-monosubstituted hydantoin - Ureide - N-acyl urea - Benzenoid - Monocyclic benzene moiety - Dicarboximide - Urea - Carbonic acid derivative - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylhydantoins. These are heterocyclic aromatic compounds containing an imiazolidinedione moiety substituted by a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 232.280 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 232.121 Da |
| Monoisotopic Mass | 232.121 Da |
| Topological Polar Surface Area | 58.200 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 332.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |